1-(2,3-dihydro-1,3-benzothiazol-3-ium-3-ylmethyl)-1-octadecyl-pyrrolidin-1-ium-2-one chloride

Systemtic Name: 1-(2,3-dihydro-1,3-benzothiazol-3-ium-3-ylmethyl)-1-octadecyl-pyrrolidin-1-ium-2-one chloride Openeye Name: 1-(2,3-dihydro-1,3-benzothiazol-3-ium-3-ylmethyl)-1-octadecyl-pyrrolidin-1-ium-2-one chloride CAS Name: 1-(2,3-dihydro-1,3-benzothiazol-3-ium-3-ylmethyl)-1-octadecyl-2-pyrrolidin-1-iumone chloride IUPAC Name: 1-(2,3-dihydro-1,3-benzothiazol-3-ium-3-ylmethyl)-1-octadecylpyrrolidin-1-ium-2-one chloride Traditional Name: 1-(2,3-dihydro-1,3-benzothiazol-3-ium-3-ylmethyl)-1-stearyl-pyrrolidin-1-ium-2-one chloride Formula: C30H52ClN2OS+ MolecularWeight: 524.26468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1=O)C[NH+]2CSC3=CC=CC=C32.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1=O)C[NH+]2CSC3=CC=CC=C32.[Cl-]

InChI

InChI=1S/C30H51N2OS.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-32(25-20-23-30(32)33)26-31-27-34-29-22-18-17-21-28(29)31;/h17-18,21-22H,2-16,19-20,23-27H2,1H3;1H/q+1;